SCHEMBL4522235

SCHEMBL4522235

O=C(Nc1ccc(-c2ccncc2)cc1)[C@@H]1Cc2ccccc2CN1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.53
ROCK2 O75116 6/20 0.52
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.49
AAK1 Q2M2I8 1/20 0.48
AKT1 P31749 1/20 0.48
MEN1 O00255 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
ROCK1 Q13464 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4524945 1.00 HDAC8 (0.53) HDAC8ROCK2KMT2APOLBAAK1
Hydrochloric Acid SCHEMBL4786867 0.83 HDAC8 (0.61) HDAC8KMT2APOLBMEN1OPRM1
SCHEMBL4522482 0.82 MAPT (0.50) HDAC8ROCK2KMT2APOLBAAK1
SCHEMBL3925785 0.82 POLB (0.55) HDAC8ROCK2KMT2APOLBMEN1
SCHEMBL14863889 0.81 KMT2A (0.53) HDAC8ROCK2KMT2APOLBMEN1
SCHEMBL10472572 0.77 PDE3B (0.62) HDAC8ROCK2KMT2APOLB
SCHEMBL2868021 0.74 HDAC8 (0.48) HDAC8ROCK1
SCHEMBL3922869 0.74 KMT2A (0.59) KMT2APOLBMEN1
SCHEMBL27470508 0.73 KMT2A (0.57) HDAC8KMT2APOLBMEN1OPRM1
SCHEMBL23092617 0.73 LMNA (0.55) HDAC8ROCK2KMT2APOLBMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA HDAC8 31/4885ROCK2 2/4885KMT2A 735/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.